N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine

C14H29NO2 — CID 81094480

IUPACN-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCC1CCCCC1)OCC
InChIInChI=1S/C14H29NO2/c1-3-16-14(17-4-2)10-11-15-12-13-8-6-5-7-9-13/h13-15H,3-12H2,1-2H3
InChIKeyHJXSQOBPAKWTGX-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.95
Rot. Bonds9

About N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine

N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine (PubChem CID 81094480) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
PubChem CID81094480
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCC1CCCCC1)OCC
InChIInChI=1S/C14H29NO2/c1-3-16-14(17-4-2)10-11-15-12-13-8-6-5-7-9-13/h13-15H,3-12H2,1-2H3
InChIKeyHJXSQOBPAKWTGX-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
CID 89099495
3,3-diethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 81093588
1-(cyclohexylmethylamino)pentan-3-ol
CID 115757169
N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N'-(cyclohexylmethyl)-N-propylethane-1,2-diamine
CID 62559758
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
CID 103876173
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103490752
4-chloro-N-(cyclohexylmethyl)pentan-1-amine
CID 106122000

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine (CID 81094480) is N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine is CCOC(CCNCC1CCCCC1)OCC.
What is the InChIKey of N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine?
The InChIKey is HJXSQOBPAKWTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-16-14(17-4-2)10-11-15-12-13-8-6-5-7-9-13/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine?
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine is sourced from PubChem (CID 81094480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).